(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

C14H20N2O — CID 14234527

IUPAC(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C14H20N2O/c17-14(13-9-5-10-15-13)16-11-4-8-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17)/t13-/m0/s1
InChIKeyRUCXGDMOXFSSPA-ZDUSSCGKSA-N
MW232.33 g/mol
LogP1.49
Rot. Bonds5

About (2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide (PubChem CID 14234527) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
PubChem CID14234527
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C14H20N2O/c17-14(13-9-5-10-15-13)16-11-4-8-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17)/t13-/m0/s1
InChIKeyRUCXGDMOXFSSPA-ZDUSSCGKSA-N
XLogP1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119296149
N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide
CID 91660203
N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296140
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
(2R)-N-(3-anilinopropyl)piperidine-2-carboxamide
CID 119867761
N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide
CID 119320797
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316858
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
N-(2-phenylsulfanylethyl)pyrrolidine-2-carboxamide
CID 60717864

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide (CID 14234527) is (2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide is O=C(NCCCc1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is RUCXGDMOXFSSPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14(13-9-5-10-15-13)16-11-4-8-12-6-2-1-3-7-12/h1-3,6-7,13,15H,4-5,8-11H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 14234527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).